CID 2778702

1h,1h-nonafluoro-3,6-dioxaheptan-1-ol

Structural Information

Molecular Formula
C5H3F9O3
SMILES
C(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5H3F9O3/c6-2(7,1-15)16-3(8,9)4(10,11)17-5(12,13)14/h15H,1H2
InChIKey
MRBIEXKSTURAOV-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

281.99384 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00112 146.8
[M+Na]+ 304.98306 155.9
[M-H]- 280.98656 135.2
[M+NH4]+ 300.02766 161.3
[M+K]+ 320.95700 154.5
[M+H-H2O]+ 264.99110 136.2
[M+HCOO]- 326.99204 154.2
[M+CH3COO]- 341.00769 195.1
[M+Na-2H]- 302.96851 152.1
[M]+ 281.99329 135.4
[M]- 281.99439 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe